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release website  

Deep Reinforcement Learning for de-novo Drug Design

Environment Modules

Run module spider release to find out what environment modules are available for this application.

System Variables

  • HPC_RELEASE_DIR - installation directory
  • HPC_RELEASE_BIN - executable directory


If you publish research that uses release you have to cite it as follows:

Mariya Popova, Olexandr Isayev, Alexander Tropsha. Deep Reinforcement Learning for de-novo Drug Design. Science Advances, 2018, Vol. 4, no. 7, eaap7885. DOI: 10.1126/sciadv.aap7885